1-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylhexyl]urea

Systemtic Name: 1-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylhexyl]urea Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylhexylurea CAS Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]hexylurea IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexylurea Traditional Name: 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]hexylurea Formula: C21H36N2O2S MolecularWeight: 380.58774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CNC(=O)N)SC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CCCCC(CNC(=O)N)SC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C21H36N2O2S/c1-8-9-10-14(13-23-19(22)25)26-15-11-16(20(2,3)4)18(24)17(12-15)21(5,6)7/h11-12,14,24H,8-10,13H2,1-7H3,(H3,22,23,25)